SCHEMBL23628795

SCHEMBL23628795

N#Cc1ccc(N2C[C@H](CN3CCC4(CCNCC4)C3)[C@@H](C(F)(F)F)C2)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.49
TLR9 Q9NR96 11/20 0.41
TLR7 Q9NYK1 11/20 0.41
NCF1 P14598 1/20 0.34
CYP2D6 P10635 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACVR1 Q04771 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
ACVRL1 P37023 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23628746 0.95 TLR8 (0.50) TLR8TLR9TLR7NCF1CYP2D6
SCHEMBL23628853 0.95 TLR8 (0.48) TLR8TLR9TLR7NCF1CYP2D6
SCHEMBL23760739 0.95 TLR8 (0.50) TLR8TLR9TLR7NCF1CYP2D6
SCHEMBL23760713 0.95 TLR8 (0.48) TLR8TLR9TLR7NCF1CYP2D6
SCHEMBL23628760 0.95 TLR8 (0.51) TLR8TLR9TLR7NCF1CYP2D6
SCHEMBL23628741 0.92 TLR8 (0.51) TLR8TLR9TLR7NCF1ACVR1
SCHEMBL23760692 0.92 TLR8 (0.51) TLR8TLR9TLR7NCF1ACVR1
SCHEMBL23751102 0.91 TLR8 (0.49) TLR8TLR9TLR7CYP2D6ALDH1A1
SCHEMBL23760686 0.90 TLR8 (0.45) TLR8TLR9TLR7CYP2D6ALDH1A1
SCHEMBL23628870 0.90 TLR8 (0.36) TLR8TLR9TLR7CYP2D6ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US claimed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP claimed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 TLR8 1800/4885TLR9 308/4885TLR7 229/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.